1-[(3,4-dimethoxyphenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(3-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(3-thienyl)methyl]proline Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C18H21NO4S/c1-22-15-6-5-12(10-16(15)23-2)17(13-7-9-24-11-13)19-8-3-4-14(19)18(20)21/h5-7,9-11,14,17H,3-4,8H2,1-2H3,(H,20,21)